N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide

C19H16F5N5O2S — CID 145008412

About N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide

N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide (PubChem CID 145008412) has the molecular formula C19H16F5N5O2S and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
• PubChem CID: 145008412
• Molecular Formula: C19H16F5N5O2S
• Molecular Weight: 473.43 g/mol
• Exact Mass: 473.09
• IUPAC Name: N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
• SMILES: CC1CN(c2ccc(S(F)(F)(F)(F)F)cc2)C(=O)c2c(NC(=O)c3cccnc3)cnn21
• InChI: InChI=1S/C19H16F5N5O2S/c1-12-11-28(14-4-6-15(7-5-14)32(20,21,22,23)24)19(31)17-16(10-26-29(12)17)27-18(30)13-3-2-8-25-9-13/h2-10,12H,11H2,1H3,(H,27,30)
• InChIKey: UYWDWIYKRIBPNY-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.43
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide (CID 145008412) is N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide is CC1CN(c2ccc(S(F)(F)(F)(F)F)cc2)C(=O)c2c(NC(=O)c3cccnc3)cnn21.

What is the InChIKey of N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The InChIKey is UYWDWIYKRIBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N5O2S/c1-12-11-28(14-4-6-15(7-5-14)32(20,21,22,23)24)19(31)17-16(10-26-29(12)17)27-18(30)13-3-2-8-25-9-13/h2-10,12H,11H2,1H3,(H,27,30).

What are the key properties of N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-methyl-4-oxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 145008412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).